SCHEMBL2011989

SCHEMBL2011989

O=C1CN(C(=O)OCc2ccccc2)CC(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
P2RX4 Q99571 2/20 0.52
P2RX1 P51575 1/20 0.52
P2RX3 P56373 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR2C P28335 2/20 0.50
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
HRH2 P25021 1/20 0.50
HTR1B P28222 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12719189 0.86 KMT2A (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1488412 0.85 KMT2A (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14734421 0.85 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15067221 0.83 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL324086 0.82 TMEM97 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15499538 0.82 KMT2A (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23219629 0.82 NPC1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1489028 0.81 KMT2A (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.80 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.80 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001891-B1 BUPRENORPHINE DERIVATIVES AND USES THEREOF RB PHARMACEUTICALS LTD (GB) 2013-07-24 EP disclosed
US-7964610-B2 Buprenorphine derivatives and uses thereof RECKITT BENCKISER HEALTHCARE (UK) LIMITED (GB) 2011-06-21 US disclosed
US-20100234412-A1 Buprenorphine Derivatives and Uses Thereof RECKITT BENCKISER HEALTHCARE (UK) LIMITED (GB) 2010-09-16 US disclosed
EP-2001891-A1 BUPRENORPHINE DERIVATIVES AND USES THEREOF Reckitt Benckiser Healthcare (UK) Limited (GB) 2008-12-17 EP disclosed
WO-2007110636-A1 BUPRENORPHINE DERIVATIVES AND USES THEREOF RECKITT BENCKISER HEALTHCARE (UK) LIMITED (GB) 2007-10-04 WO disclosed
EP-1137640-B1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS HOFFMANN LA ROCHE (CH) 2005-09-21 EP disclosed
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
US-4596791-A Containing heterocyclic fused ring USV PHARMACEUTICAL CORP. (US) 1986-06-24 US disclosed
EP-0121830-A2 Substituted dipeptides as antihypertensives USV PHARMACEUTICAL CORPORATION (US) 1984-10-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100234412-A1 Buprenorphine Derivatives and Uses Thereof OPRD1, OPRK1, OPRM1 MEN1 4882/4885KMT2A 1642/4885NPSR1 248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.